4-bromo-1,8-naphthyridine

• ChemBase ID: 87261
• Molecular Formular: C8H5BrN2
• Molecular Mass: 209.0427
• Monoisotopic Mass: 207.96361017
• SMILES: n1ccc(c2c1nccc2)Br
• Canonical SMILES: Brc1ccnc2c1cccn2
• InChI: InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
• InChIKey: QYXNSNJTMIEAPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1,8-naphthyridine
• IUPAC Traditional name: 4-bromo-1,8-naphthyridine
• Synonyms: 4-Bromo-1,8-naphthyridine

Database IDs

• CAS Number: 54569-28-7
• PubChem SID: 162074372
• PubChem CID: 12422527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0069833
• LogD (pH = 7.4): 2.0069852
• Log P: 2.0069852
• Molar Refractivity: 47.018 cm^3
• Polarizability: 18.13264 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%